2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol

C22H21ClOS — CID 10992256

IUPAC2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol
SMILESOC(c1ccccc1)C(CCc1ccccc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClOS/c23-19-12-14-20(15-13-19)25-21(16-11-17-7-3-1-4-8-17)22(24)18-9-5-2-6-10-18/h1-10,12-15,21-22,24H,11,16H2
InChIKeyLFCRLRCEJBEZSN-UHFFFAOYSA-N
MW368.93 g/mol
LogP6.17
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol

2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol (PubChem CID 10992256) has the molecular formula C22H21ClOS and a molecular weight of 368.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol
PubChem CID10992256
Molecular FormulaC22H21ClOS
Molecular Weight368.93 g/mol
Exact Mass368.10
IUPAC Name2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol
SMILESOC(c1ccccc1)C(CCc1ccccc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClOS/c23-19-12-14-20(15-13-19)25-21(16-11-17-7-3-1-4-8-17)22(24)18-9-5-2-6-10-18/h1-10,12-15,21-22,24H,11,16H2
InChIKeyLFCRLRCEJBEZSN-UHFFFAOYSA-N
XLogP6.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.93
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Chlorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanol
CID 4328843
(4-Chlorophenyl)-(5-ethyl-2-methylsulfanylphenyl)methanol
CID 13838791
(1R,2S)-2-(4-chlorophenyl)sulfanyl-1-phenylpropan-1-ol
CID 44436340
6-Chloro-4-thiochromanol
CID 2739737
(1S,2S)-2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol
CID 16220330
2-(4-Chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol
CID 60714806
(1S,2S)-1-(4-chlorophenyl)-2-fluoro-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethanol
CID 135060805
(1R,2S)-1-(4-chlorophenyl)-2-fluoro-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]ethanol
CID 135061588
1-(4-Chlorophenyl)sulfanyl-2-(4-fluorophenyl)propan-2-ol
CID 146163388
(s)-(-)-6-Chlorothiochroman-4-ol
CID 713733
4-(4-Chlorophenyl)sulfanyl-2,2-dimethyl-6-phenylhexan-3-ol
CID 10948057
1-(4-Chlorophenyl)-2-(4-chlorophenyl)sulfanylethanol
CID 60724219

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol (CID 10992256) is 2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol is OC(c1ccccc1)C(CCc1ccccc1)Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol?
The InChIKey is LFCRLRCEJBEZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClOS/c23-19-12-14-20(15-13-19)25-21(16-11-17-7-3-1-4-8-17)22(24)18-9-5-2-6-10-18/h1-10,12-15,21-22,24H,11,16H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol?
2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol has a molecular weight of 368.93 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1,4-diphenylbutan-1-ol is sourced from PubChem (CID 10992256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).